1,3-dimethyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one

Systemtic Name: 1,3-dimethyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Openeye Name: 1,3-dimethyl-10-[6-(1-piperidyl)hex-2-ynyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one CAS Name: 1,3-dimethyl-10-[6-(1-piperidinyl)hex-2-ynyl]-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one IUPAC Name: 1,3-dimethyl-10-(6-piperidin-1-ylhex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Traditional Name: 1,3-dimethyl-10-(6-piperidinohex-2-ynyl)-5H-pyrazolo[3,4-c][1,5]benzodiazepin-4-one Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)CC#CCCCN4CCCCC4)C

Isomeric SMILES

CC1=NN(C2=C1N(C3=CC=CC=C3NC2=O)CC#CCCCN4CCCCC4)C

InChI

InChI=1S/C23H29N5O/c1-18-21-22(26(2)25-18)23(29)24-19-12-6-7-13-20(19)28(21)17-11-4-3-8-14-27-15-9-5-10-16-27/h6-7,12-13H,3,5,8-10,14-17H2,1-2H3,(H,24,29)